2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide

C17H17ClFNO4S — CID 18124124

IUPAC2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-20(10-11-24-16-5-3-2-4-15(16)19)17(21)12-25(22,23)14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3
InChIKeySCJFCRDHDJQNSY-UHFFFAOYSA-N
MW385.84 g/mol
LogP2.79
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide

2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 18124124) has the molecular formula C17H17ClFNO4S and a molecular weight of 385.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID18124124
Molecular FormulaC17H17ClFNO4S
Molecular Weight385.84 g/mol
Exact Mass385.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO4S/c1-20(10-11-24-16-5-3-2-4-15(16)19)17(21)12-25(22,23)14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3
InChIKeySCJFCRDHDJQNSY-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 34391326
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide (CID 18124124) is 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccccc1F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is SCJFCRDHDJQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4S/c1-20(10-11-24-16-5-3-2-4-15(16)19)17(21)12-25(22,23)14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide?
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 385.84 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 18124124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).